A0A077ZDI8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDI8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 84 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.6Very low60.5Low133 Ų13395.5 Ų95.566%0.65551%0.509SS*.  0131.30-132.4164.5-164.600105.4E3 M6 L40M1-E3 PolarHBondContact O-N 3.06Å; M1-M6 HydrophobicContact CE-CE 3.33Å; M1-M6 HydrophobicContact CE-CG 3.86Å; M1-M6 HydrophobicContact CE-SD 3.46Å; M1-M6 WeakPolarHBondContact CE-SD 3.43Å; M1-M6 HydrophobicContact CG-CG 3.75Å; M1-M6 HydrophobicContact SD-CE 3.75Å; M1-M6 HydrophobicContact SD-CG 3.54Å; M1-M6 VanDerWaalsContact SD-CG 3.54Å; M1-M6 HydrophobicContact SD-SD 3.97Å; M1-L40 HydrophobicContact CE-CD2 3.82Å; M1-L40 HydrophobicContact CG-CD2 4.43Å
2E53.5Low61.2Low136 Ų13697.1 Ų97.164%0.63651%0.508SS*.  trans-61.5100.5162.2-75.186.3-168.100106.4N4 C5E2-N4 PolarHBondContact O-N 3.4Å; E2-C5 PolarHBondContact O-N 2.68Å
3E57.6Low61.8Low137 Ų137101.1 Ų101.164%0.6453%0.529SS*.Hα-helixtrans-41.6-37.4171.7-174.3176.1172.100110.5M1 C5 M6 N7M1-E3 PolarHBondContact O-N 3.06Å; E3-C5 VanDerWaalsContact C-N 3.33Å; E3-C5 PolarHBondContact O-N 3.22Å; E3-M6 PolarHBondContact O-N 3.01Å; E3-N7 HydrophobicContact CG-CB 4.34Å; E3-N7 CarbonylContact O-C 3.53Å; E3-N7 WeakPolarHBondContact O-CA 3.23Å; E3-N7 VanDerWaalsContact O-CB 3.3Å; E3-N7 WeakPolarHBondContact O-CB 3.49Å; E3-N7 PolarHBondContact O-N 3.41Å
4N57.3Low62.6Low124 Ų124103.4 Ų103.466%0.66353%0.533SS*.Hα-helixtrans-58.5-30.5177.3-58-17.1000115.6E2 T8E2-N4 PolarHBondContact O-N 3.4Å; N4-T8 WeakPolarHBondContact O-CA 3.18Å; N4-T8 VanDerWaalsContact O-CG2 3.25Å; N4-T8 WeakPolarHBondContact O-CG2 3.46Å
5C58.3Low63.6Low83 Ų8398.1 Ų98.156%0.56151%0.508SS*.Hα-helixtrans-83.3-32.5177.8-82.70000112.4E2 E3E2-C5 PolarHBondContact O-N 2.68Å; E3-C5 VanDerWaalsContact C-N 3.33Å; E3-C5 PolarHBondContact O-N 3.22Å
6M58.7Low64.7Low59 Ų59101.5 Ų101.529%0.29152%0.521SS..Hα-helixtrans-91.6-30.9-173.2-64.4-68.5-6700112.7M1 E3 A36M1-M6 HydrophobicContact CE-CE 3.33Å; M1-M6 HydrophobicContact CE-CG 3.86Å; M1-M6 HydrophobicContact CE-SD 3.46Å; M1-M6 WeakPolarHBondContact CE-SD 3.43Å; M1-M6 HydrophobicContact CG-CG 3.75Å; M1-M6 HydrophobicContact SD-CE 3.75Å; M1-M6 HydrophobicContact SD-CG 3.54Å; M1-M6 VanDerWaalsContact SD-CG 3.54Å; M1-M6 HydrophobicContact SD-SD 3.97Å; E3-M6 PolarHBondContact O-N 3.01Å; M6-A36 HydrophobicContact CE-CB 3.27Å; M6-A36 HydrophobicContact SD-CB 3.17Å; M6-A36 WeakPolarHBondContact SD-CB 3.19Å
7N65.2Low65.8Low94 Ų94103.5 Ų103.550%0.50353%0.525SS..SBendtrans-12856.4-177.5-170.242.1000107E3E3-N7 HydrophobicContact CG-CB 4.34Å; E3-N7 CarbonylContact O-C 3.53Å; E3-N7 WeakPolarHBondContact O-CA 3.23Å; E3-N7 VanDerWaalsContact O-CB 3.3Å; E3-N7 WeakPolarHBondContact O-CB 3.49Å; E3-N7 PolarHBondContact O-N 3.41Å
8T63.7Low66.8Low26 Ų26102 Ų10216%0.1652%0.519CS..  trans-54.5150.6170.775.40000108N4 E10 A11 Y31N4-T8 WeakPolarHBondContact O-CA 3.18Å; N4-T8 VanDerWaalsContact O-CG2 3.25Å; N4-T8 WeakPolarHBondContact O-CG2 3.46Å; T8-E10 WeakPolarHBondContact CB-OE2 3.36Å; T8-E10 PolarHBondContact O-N 3.01Å; T8-E10 PolarHBondContact OG1-OE2 3.18Å; T8-A11 VanDerWaalsContact O-CB 3.24Å; T8-A11 WeakPolarHBondContact O-CB 3.25Å; T8-A11 PolarHBondContact O-N 3.02Å; T8-A11 PolarHBondContact OG1-N 3.39Å; T8-Y31 HydrophobicContact CG2-CE2 4.49Å
9P66.5Low67.8Low115 Ų115109.4 Ų109.475%0.74754%0.54SS*.THydrogen-bonded Turntrans-52.7-24.9179.9-2735000114.1
10E67.3Low68.8Low121 Ų121108.7 Ų108.757%0.56554%0.538SS*.THydrogen-bonded Turntrans-88.5-13.4178.4-46.576.5-167.200113.9T8 K12T8-E10 WeakPolarHBondContact CB-OE2 3.36Å; T8-E10 PolarHBondContact O-N 3.01Å; T8-E10 PolarHBondContact OG1-OE2 3.18Å; E10-K12 PolarHBondContact O-N 2.68Å
11A67.5Low69.3Low22 Ų22107.7 Ų107.718%0.18253%0.532CS..  trans-66.8130.5-179.700000110T8T8-A11 VanDerWaalsContact O-CB 3.24Å; T8-A11 WeakPolarHBondContact O-CB 3.25Å; T8-A11 PolarHBondContact O-N 3.02Å; T8-A11 PolarHBondContact OG1-N 3.39Å
12K69.1Low70.8Confident115 Ų115109.9 Ų109.950%0.554%0.538SS..  trans-118.5138.4178.6-58.2-175.9179.2177.70110.7E10 F14E10-K12 PolarHBondContact O-N 2.68Å; K12-F14 WeakPolarHBondContact CB-O 3.44Å; K12-F14 PolarHBondContact O-N 2.72Å
13L69.4Low72.3Confident149 Ų149108.9 Ų108.978%0.7854%0.541SS*.SBendtrans-61.7-29.6173.7-75171.1000112.4R30L13-R30 VanDerWaalsContact O-CZ 3.27Å; L13-R30 PolarHBondContact O-NE 3.43Å; L13-R30 PolarHBondContact O-NH2 2.75Å
14F72.9Confident73.4Confident133 Ų133107 Ų10758%0.58353%0.532SS*.SBendtrans-136.9143.1179.665.5-81.9000110.3K12 H16K12-F14 WeakPolarHBondContact CB-O 3.44Å; K12-F14 PolarHBondContact O-N 2.72Å; F14-H16 AromaticContact CE2-CD2 3.9Å; F14-H16 AromaticContact CE2-CE1 3.79Å; F14-H16 AromaticContact CE2-NE2 3.36Å; F14-H16 WeakPolarHBondContact CE2-NE2 3.14Å
15C78Confident74.4Confident24 Ų24107.3 Ų107.316%0.16253%0.525CS..  trans-108.3136.8173.1-58.80000109.4F17 A26 C28C15-F17 HydrophobicContact CB-CD2 4.35Å; C15-F17 HydrophobicContact CB-CE1 4.49Å; C15-F17 HydrophobicContact CB-CE2 3.66Å; C15-F17 HydrophobicContact CB-CZ 3.75Å; C15-F17 VanDerWaalsContact O-CD2 3.3Å; C15-F17 WeakPolarHBondContact O-CD2 3.33Å; C15-A26 HydrophobicContact CB-CB 4.1Å; C15-C28 WeakPolarHBondContact CA-SG 3.36Å; C15-C28 HydrophobicContact CB-CB 3.57Å; C15-C28 WeakPolarHBondContact CB-SG 3.17Å; C15-C28 WeakPolarHBondContact SG-CB 3.24Å; C15-C28 CovalentContact SG-SG 2.03Å; C15-C28 PolarHBondContact SG-SG 2.96Å
16H81.5Confident75.3Confident153 Ų153104.5 Ų104.571%0.70851%0.508SS*.PPolyproline II helixtrans-85.1116.9170.8-73.4-68.6000109.5F14F14-H16 AromaticContact CE2-CD2 3.9Å; F14-H16 AromaticContact CE2-CE1 3.79Å; F14-H16 AromaticContact CE2-NE2 3.36Å; F14-H16 WeakPolarHBondContact CE2-NE2 3.14Å
17F83.4Confident76.1Confident135 Ų135108 Ų10859%0.59253%0.528SS*.PPolyproline II helixtrans-98.4131.9175.3-65.2-80.4000109.1C15 H21 A26C15-F17 HydrophobicContact CB-CD2 4.35Å; C15-F17 HydrophobicContact CB-CE1 4.49Å; C15-F17 HydrophobicContact CB-CE2 3.66Å; C15-F17 HydrophobicContact CB-CZ 3.75Å; C15-F17 VanDerWaalsContact O-CD2 3.3Å; C15-F17 WeakPolarHBondContact O-CD2 3.33Å; F17-H21 HydrophobicContact CB-CB 3.79Å; F17-H21 HydrophobicContact CD1-CB 3.82Å; F17-H21 HydrophobicContact CG-CB 4.15Å; F17-A26 HydrophobicContact CD1-CB 3.84Å; F17-A26 HydrophobicContact CE1-CB 3.69Å; F17-A26 HydrophobicContact CZ-CB 4.34Å
18N83.8Confident76.5Confident77 Ų77104 Ų10441%0.41251%0.507SS..PPolyproline II helixtrans-75.8173.8167.765.340.8000109.9N20 H21 H24N18-N20 PolarHBondContact O-N 3.23Å; N18-N20 VanDerWaalsContact OD1-CA 3.3Å; N18-N20 WeakPolarHBondContact OD1-CA 3.43Å; N18-N20 PolarHBondContact OD1-N 3.42Å; N18-H21 PolarHBondContact O-N 3.11Å; N18-H21 PolarHBondContact OD1-N 3.35Å; N18-H24 WeakPolarHBondContact ND2-CB 3.16Å; N18-H24 PolarHBondContact ND2-ND1 3.32Å; N18-H24 VanDerWaalsContact ND2-ND1 3.17Å
19R86Confident76.7Confident243 Ų243107.8 Ų107.892%0.91752%0.523SS*.THydrogen-bonded Turntrans-58.1-24179.9-68.4-174.2179.5-1740.1113.3
20N86.5Confident76.6Confident95 Ų95110.3 Ų110.351%0.50852%0.517SS..THydrogen-bonded Turntrans-102.841.9-179.6-68.7-10.5000112.6N18 F22 V23 H24N18-N20 PolarHBondContact O-N 3.23Å; N18-N20 VanDerWaalsContact OD1-CA 3.3Å; N18-N20 WeakPolarHBondContact OD1-CA 3.43Å; N18-N20 PolarHBondContact OD1-N 3.42Å; N20-F22 PolarHBondContact O-N 3.15Å; N20-V23 HydrophobicContact CB-CG2 3.77Å; N20-V23 VanDerWaalsContact O-CG2 3.28Å; N20-V23 WeakPolarHBondContact O-CG2 3.3Å; N20-V23 PolarHBondContact O-N 3.34Å; N20-H24 PolarHBondContact O-N 3.34Å
21H80.2Confident76.5Confident87 Ų87110 Ų11040%0.40351%0.512SS..THydrogen-bonded Turntrans-60.5-18.2-174.665.6-89.9000115.8F17 N18 V23F17-H21 HydrophobicContact CB-CB 3.79Å; F17-H21 HydrophobicContact CD1-CB 3.82Å; F17-H21 HydrophobicContact CG-CB 4.15Å; N18-H21 PolarHBondContact O-N 3.11Å; N18-H21 PolarHBondContact OD1-N 3.35Å; H21-V23 VanDerWaalsContact C-N 3.31Å
22F81.2Confident76.4Confident180 Ų180113.4 Ų113.479%0.78953%0.527SS*.THydrogen-bonded Turntrans-73.6-22.7175.3-59.3-69.9000113.7N20N20-F22 PolarHBondContact O-N 3.15Å
23V84.6Confident76.2Confident115 Ų115114.6 Ų114.670%0.69753%0.534SS*.THydrogen-bonded Turntrans-119.6-20.5-176.2-730000112.7N20 H21N20-V23 HydrophobicContact CB-CG2 3.77Å; N20-V23 VanDerWaalsContact O-CG2 3.28Å; N20-V23 WeakPolarHBondContact O-CG2 3.3Å; N20-V23 PolarHBondContact O-N 3.34Å; H21-V23 VanDerWaalsContact C-N 3.31Å
24H79.9Confident76.3Confident97 Ų97110.4 Ų110.445%0.44952%0.521SS..SBendtrans-106.8116-179.5-71.9-150.6000110.2N18 N20N18-H24 WeakPolarHBondContact ND2-CB 3.16Å; N18-H24 PolarHBondContact ND2-ND1 3.32Å; N18-H24 VanDerWaalsContact ND2-ND1 3.17Å; N20-H24 PolarHBondContact O-N 3.34Å
25Y78.6Confident76.2Confident130 Ų130108.7 Ų108.751%0.5152%0.517SS..  trans-60.5134.7172.6-178.4-121.3000111.3N27 H29Y25-N27 WeakPolarHBondContact CD1-OD1 3.5Å; Y25-N27 PolarHBondContact O-N 2.9Å; Y25-H29 AromaticContact CZ-CE1 3.97Å; Y25-H29 PolarHBondContact OH-CD2 3.17Å; Y25-H29 VanDerWaalsContact OH-CD2 3.29Å; Y25-H29 PolarHBondContact OH-CE1 2.9Å; Y25-H29 PolarHBondContact OH-ND1 3.16Å; Y25-H29 VanDerWaalsContact OH-ND1 3.17Å; Y25-H29 PolarHBondContact OH-NE2 3.28Å
26A76.6Confident75.9Confident25 Ų25108 Ų10821%0.20751%0.513CS..  trans-77.12.4-172.800000114.5C15 F17 C28C15-A26 HydrophobicContact CB-CB 4.1Å; F17-A26 HydrophobicContact CD1-CB 3.84Å; F17-A26 HydrophobicContact CE1-CB 3.69Å; F17-A26 HydrophobicContact CZ-CB 4.34Å; A26-C28 HydrophobicContact CB-CB 4.21Å; A26-C28 WeakPolarHBondContact O-CB 3.44Å; A26-C28 PolarHBondContact O-N 3.32Å; A26-C28 VanDerWaalsContact O-N 3.12Å
27N77.3Confident75.4Confident132 Ų132102.6 Ų102.671%0.70649%0.489SS*.SBendtrans47.439.5-172.5-65.8-35.3000112.1Y25Y25-N27 WeakPolarHBondContact CD1-OD1 3.5Å; Y25-N27 PolarHBondContact O-N 2.9Å
28C72Confident75.1Confident11 Ų11101.2 Ų101.27%0.07449%0.487CS..  trans-150.8119.8-171.11730000108.1C15 A26C15-C28 WeakPolarHBondContact CA-SG 3.36Å; C15-C28 HydrophobicContact CB-CB 3.57Å; C15-C28 WeakPolarHBondContact CB-SG 3.17Å; C15-C28 WeakPolarHBondContact SG-CB 3.24Å; C15-C28 CovalentContact SG-SG 2.03Å; C15-C28 PolarHBondContact SG-SG 2.96Å; A26-C28 HydrophobicContact CB-CB 4.21Å; A26-C28 WeakPolarHBondContact O-CB 3.44Å; A26-C28 PolarHBondContact O-N 3.32Å; A26-C28 VanDerWaalsContact O-N 3.12Å
29H69.1Low74.8Confident104 Ų104102.2 Ų102.248%0.48149%0.492SS..  trans-95.9118.7175.3-67.1-84.2000108.5Y25 Y31Y25-H29 AromaticContact CZ-CE1 3.97Å; Y25-H29 PolarHBondContact OH-CD2 3.17Å; Y25-H29 VanDerWaalsContact OH-CD2 3.29Å; Y25-H29 PolarHBondContact OH-CE1 2.9Å; Y25-H29 PolarHBondContact OH-ND1 3.16Å; Y25-H29 VanDerWaalsContact OH-ND1 3.17Å; Y25-H29 PolarHBondContact OH-NE2 3.28Å; H29-Y31 HydrophobicContact CB-CE2 4.34Å
30R64Low74.2Confident169 Ų16992.6 Ų92.664%0.63846%0.459SS*.  trans-107.6105.5166.2-154.2-177.4-160.2-141.24.8107L13 D32L13-R30 VanDerWaalsContact O-CZ 3.27Å; L13-R30 PolarHBondContact O-NE 3.43Å; L13-R30 PolarHBondContact O-NH2 2.75Å; R30-D32 PolarHBondContact O-N 3.43Å; R30-D32 VanDerWaalsContact O-N 3.14Å
31Y65.7Low73.7Confident114 Ų11488.1 Ų88.145%0.44744%0.435SS..  trans-71.7107167.1-61.3-77.4000106.6T8 H29 Q33T8-Y31 HydrophobicContact CG2-CE2 4.49Å; H29-Y31 HydrophobicContact CB-CE2 4.34Å; Y31-Q33 PolarHBondContact O-N 2.8Å
32D65Low73.8Confident93 Ų9388.3 Ų88.350%0.49744%0.439SS..  trans-60.3135.6169-170.6-80.8000108.2R30 A34 I35 A36R30-D32 PolarHBondContact O-N 3.43Å; R30-D32 VanDerWaalsContact O-N 3.14Å; D32-A34 PolarHBondContact O-N 3.07Å; D32-A34 WeakPolarHBondContact OD1-CB 3.46Å; D32-A34 PolarHBondContact OD1-N 3.19Å; D32-I35 PolarHBondContact O-N 3.35Å; D32-A36 PolarHBondContact O-N 3.15Å
33Q64.8Low73.5Confident140 Ų14087.3 Ų87.365%0.65444%0.437SS*.Hα-helixtrans-52.9-27.9-178.4-167.9174.3-0.300111.7Y31 N37Y31-Q33 PolarHBondContact O-N 2.8Å; Q33-N37 VanDerWaalsContact O-CB 3.3Å; Q33-N37 WeakPolarHBondContact O-CB 3.5Å; Q33-N37 PolarHBondContact O-N 3.04Å; Q33-N37 PolarHBondContact O-ND2 3.23Å; Q33-N37 PolarHBondContact O-OD1 3.12Å
34A70.8Confident73.3Confident61 Ų6184 Ų8450%0.50442%0.415SS..Hα-helixtrans-64.3-43.4176.600000113.9D32 N37 L38D32-A34 PolarHBondContact O-N 3.07Å; D32-A34 WeakPolarHBondContact OD1-CB 3.46Å; D32-A34 PolarHBondContact OD1-N 3.19Å; A34-N37 PolarHBondContact O-N 2.62Å; A34-L38 PolarHBondContact O-N 3.29Å
35I72.2Confident73.3Confident98 Ų9882 Ų8250%0.50342%0.421SS..Hα-helixtrans-67.5-44.8-179.7-65.3177.1000109.7D32 N37 L38 L39D32-I35 PolarHBondContact O-N 3.35Å; I35-N37 PolarHBondContact O-N 2.9Å; I35-L38 WeakPolarHBondContact O-CB 3.25Å; I35-L38 PolarHBondContact O-N 3.4Å; I35-L38 VanDerWaalsContact O-N 3.15Å; I35-L39 HydrophobicContact CG2-CD1 4.23Å; I35-L39 HydrophobicContact CG2-CG 4.46Å; I35-L39 WeakPolarHBondContact O-CG 3.36Å; I35-L39 PolarHBondContact O-N 2.96Å
36A70.5Confident73.2Confident9 Ų977.8 Ų77.87%0.07440%0.404CS..Hα-helixtrans-58.3-46.8175.700000112.9M6 D32 L38 L39 L40M6-A36 HydrophobicContact CE-CB 3.27Å; M6-A36 HydrophobicContact SD-CB 3.17Å; M6-A36 WeakPolarHBondContact SD-CB 3.19Å; D32-A36 PolarHBondContact O-N 3.15Å; A36-L38 PolarHBondContact O-N 3.48Å; A36-L39 PolarHBondContact O-N 2.89Å; A36-L40 WeakPolarHBondContact O-CB 3.3Å; A36-L40 PolarHBondContact O-N 3.48Å
37N72.2Confident73.3Confident39 Ų3979.6 Ų79.621%0.20941%0.41CS..Hα-helixtrans-58.9-39176-73.4-11.4000111.1Q33 A34 I35 A41 W51Q33-N37 VanDerWaalsContact O-CB 3.3Å; Q33-N37 WeakPolarHBondContact O-CB 3.5Å; Q33-N37 PolarHBondContact O-N 3.04Å; Q33-N37 PolarHBondContact O-ND2 3.23Å; Q33-N37 PolarHBondContact O-OD1 3.12Å; A34-N37 PolarHBondContact O-N 2.62Å; I35-N37 PolarHBondContact O-N 2.9Å; N37-A41 WeakPolarHBondContact O-CB 3.38Å; N37-A41 PolarHBondContact O-N 2.94Å; N37-W51 HydrophobicContact CB-CE3 4.01Å; N37-W51 HydrophobicContact CB-CZ3 4.03Å
38L76.2Confident73.1Confident106 Ų10673.7 Ų73.756%0.55538%0.38SS*.Hα-helixtrans-67-43.5177.6-175.166.1000112.5A34 I35 A36 A41 N42 Y46A34-L38 PolarHBondContact O-N 3.29Å; I35-L38 WeakPolarHBondContact O-CB 3.25Å; I35-L38 PolarHBondContact O-N 3.4Å; I35-L38 VanDerWaalsContact O-N 3.15Å; A36-L38 PolarHBondContact O-N 3.48Å; L38-A41 PolarHBondContact O-N 3.26Å; L38-N42 WeakPolarHBondContact O-CB 3Å; L38-N42 PolarHBondContact O-N 3.45Å; L38-Y46 HydrophobicContact CD1-CE1 4.38Å
39L77.4Confident73.2Confident99 Ų9979.6 Ų79.652%0.51841%0.406SS..Hα-helixtrans-63.9-45.1176.7-68.1175.8000111I35 A36 N42 Q43I35-L39 HydrophobicContact CG2-CD1 4.23Å; I35-L39 HydrophobicContact CG2-CG 4.46Å; I35-L39 WeakPolarHBondContact O-CG 3.36Å; I35-L39 PolarHBondContact O-N 2.96Å; A36-L39 PolarHBondContact O-N 2.89Å; L39-N42 PolarHBondContact O-N 3.43Å; L39-Q43 WeakPolarHBondContact O-CB 3.28Å; L39-Q43 PolarHBondContact O-N 2.86Å
40L73.8Confident73.4Confident41 Ų4182.7 Ų82.722%0.21541%0.414CS..Hα-helixtrans-63.6-44.1176-175.762.7000111.4M1 A36 N42 Q43 L44 W51M1-L40 HydrophobicContact CE-CD2 3.82Å; M1-L40 HydrophobicContact CG-CD2 4.43Å; A36-L40 WeakPolarHBondContact O-CB 3.3Å; A36-L40 PolarHBondContact O-N 3.48Å; L40-N42 VanDerWaalsContact C-N 3.31Å; L40-N42 PolarHBondContact O-N 3Å; L40-Q43 PolarHBondContact O-N 3.36Å; L40-L44 HydrophobicContact CD1-CD1 3.58Å; L40-L44 HydrophobicContact CD1-CG 3.93Å; L40-L44 HydrophobicContact CD2-CD1 4.32Å; L40-L44 HydrophobicContact CG-CD1 3.66Å; L40-L44 HydrophobicContact CG-CG 4.28Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.05Å; L40-L44 PolarHBondContact O-N 3.41Å; L40-W51 HydrophobicContact CD2-CB 3.67Å; L40-W51 HydrophobicContact CG-CB 3.94Å
41A76.8Confident73.7Confident1 Ų176.8 Ų76.81%0.00839%0.391CS..Hα-helixtrans-57.9-46.217500000110.5N37 L38 L44 G45 Y46 W51N37-A41 WeakPolarHBondContact O-CB 3.38Å; N37-A41 PolarHBondContact O-N 2.94Å; L38-A41 PolarHBondContact O-N 3.26Å; A41-L44 PolarHBondContact O-N 2.83Å; A41-G45 PolarHBondContact O-N 3.17Å; A41-Y46 HydrophobicContact CB-CD1 3.68Å; A41-Y46 HydrophobicContact CB-CE1 4.01Å; A41-Y46 HydrophobicContact CB-CG 4.42Å; A41-Y46 WeakPolarHBondContact O-CA 3.3Å; A41-Y46 PolarHBondContact O-N 2.98Å; A41-W51 HydrophobicContact CB-CD2 3.83Å; A41-W51 VanDerWaalsContact CB-CE2 3.46Å; A41-W51 HydrophobicContact CB-CE3 4.43Å; A41-W51 HydrophobicContact CB-CG 4.16Å; A41-W51 HydrophobicContact CB-CH2 4.34Å; A41-W51 HydrophobicContact CB-CZ2 3.76Å
42N80.6Confident73.9Confident90 Ų9072.1 Ų72.148%0.48138%0.376SS..Hα-helixtrans-59.6-49.8177.3-168.6-82000112.2L38 L39 L40 L44 G45 Y46L38-N42 WeakPolarHBondContact O-CB 3Å; L38-N42 PolarHBondContact O-N 3.45Å; L39-N42 PolarHBondContact O-N 3.43Å; L40-N42 VanDerWaalsContact C-N 3.31Å; L40-N42 PolarHBondContact O-N 3Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 3.14Å; N42-G45 PolarHBondContact O-N 3.01Å; N42-G45 VanDerWaalsContact O-N 3.15Å; N42-Y46 HydrophobicContact CB-CE2 4.29Å; N42-Y46 PolarHBondContact ND2-OH 2.99Å; N42-Y46 VanDerWaalsContact ND2-OH 3.11Å
43Q76.5Confident74.3Confident159 Ų15973.4 Ų73.474%0.74339%0.392SS*.Hα-helixtrans-59.8-37.5178.5-175.46810.100112.5L39 L40 G45L39-Q43 WeakPolarHBondContact O-CB 3.28Å; L39-Q43 PolarHBondContact O-N 2.86Å; L40-Q43 PolarHBondContact O-N 3.36Å; Q43-G45 PolarHBondContact O-N 2.87Å
44L80.2Confident74.6Confident46 Ų4672.4 Ų72.424%0.24139%0.391CS..THydrogen-bonded Turntrans-88.117.4-178.9-61.7178.3000113.3L40 A41 N42 Y46 N47 R50 W51L40-L44 HydrophobicContact CD1-CD1 3.58Å; L40-L44 HydrophobicContact CD1-CG 3.93Å; L40-L44 HydrophobicContact CD2-CD1 4.32Å; L40-L44 HydrophobicContact CG-CD1 3.66Å; L40-L44 HydrophobicContact CG-CG 4.28Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.05Å; L40-L44 PolarHBondContact O-N 3.41Å; A41-L44 PolarHBondContact O-N 2.83Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 3.14Å; L44-Y46 PolarHBondContact O-N 2.89Å; L44-Y46 VanDerWaalsContact O-N 3.16Å; L44-N47 PolarHBondContact O-N 3.06Å; L44-N47 VanDerWaalsContact O-N 3.17Å; L44-R50 HydrophobicContact CD1-CB 3.57Å; L44-W51 HydrophobicContact CD1-CB 4.37Å
45G79.2Confident74.7Confident55 Ų5573.2 Ų73.257%0.56739%0.387SS*.THydrogen-bonded Turntrans63.720.7179.900000113.4A41 N42 Q43 N47A41-G45 PolarHBondContact O-N 3.17Å; N42-G45 PolarHBondContact O-N 3.01Å; N42-G45 VanDerWaalsContact O-N 3.15Å; Q43-G45 PolarHBondContact O-N 2.87Å; G45-N47 PolarHBondContact O-N 3.26Å
46Y77.3Confident74.7Confident42 Ų4272.4 Ų72.417%0.16539%0.389CS..THydrogen-bonded Turntrans5829.7-173.4-60.6-96.3000114.5L38 A41 N42 L44 A48 F59 I61L38-Y46 HydrophobicContact CD1-CE1 4.38Å; A41-Y46 HydrophobicContact CB-CD1 3.68Å; A41-Y46 HydrophobicContact CB-CE1 4.01Å; A41-Y46 HydrophobicContact CB-CG 4.42Å; A41-Y46 WeakPolarHBondContact O-CA 3.3Å; A41-Y46 PolarHBondContact O-N 2.98Å; N42-Y46 HydrophobicContact CB-CE2 4.29Å; N42-Y46 PolarHBondContact ND2-OH 2.99Å; N42-Y46 VanDerWaalsContact ND2-OH 3.11Å; L44-Y46 PolarHBondContact O-N 2.89Å; L44-Y46 VanDerWaalsContact O-N 3.16Å; Y46-A48 PolarHBondContact O-N 2.89Å; Y46-F59 HydrophobicContact CD1-CE2 4.42Å; Y46-I61 HydrophobicContact CD1-CD1 3.77Å; Y46-I61 HydrophobicContact CD1-CG1 3.61Å; Y46-I61 HydrophobicContact CD2-CD1 3.75Å; Y46-I61 HydrophobicContact CD2-CG1 4.22Å; Y46-I61 HydrophobicContact CD2-CG2 4.4Å; Y46-I61 HydrophobicContact CE1-CG1 4.11Å; Y46-I61 HydrophobicContact CE2-CG2 4.22Å; Y46-I61 HydrophobicContact CG-CD1 3.29Å; Y46-I61 HydrophobicContact CG-CG1 3.69Å
47N77.8Confident74.9Confident63 Ų6381.1 Ų81.134%0.33742%0.422SS..  trans-68.7102.3166.2-177-12000109.6L44 G45 E49 R50L44-N47 PolarHBondContact O-N 3.06Å; L44-N47 VanDerWaalsContact O-N 3.17Å; G45-N47 PolarHBondContact O-N 3.26Å; N47-E49 PolarHBondContact O-N 2.85Å; N47-E49 WeakPolarHBondContact OD1-CB 3.3Å; N47-E49 PolarHBondContact OD1-N 3.17Å; N47-R50 HydrophobicContact CB-CG 4.39Å; N47-R50 PolarHBondContact O-N 3.29Å; N47-R50 VanDerWaalsContact O-N 3.12Å
48A72.5Confident75.2Confident8 Ų883.7 Ų83.77%0.06643%0.431CS..G310 helixtrans-52.4-37.5-176.300000114.2Y46 R50 W51 S52 L55 F59Y46-A48 PolarHBondContact O-N 2.89Å; A48-R50 PolarHBondContact O-N 2.78Å; A48-W51 PolarHBondContact O-N 3.21Å; A48-S52 PolarHBondContact O-N 2.97Å; A48-S52 VanDerWaalsContact O-O 3.14Å; A48-S52 PolarHBondContact O-OG 2.03Å; A48-L55 VanDerWaalsContact CB-O 3.23Å; A48-L55 WeakPolarHBondContact CB-O 3.24Å; A48-F59 HydrophobicContact CB-CE1 3.48Å; A48-F59 VanDerWaalsContact CB-CE1 3.48Å; A48-F59 HydrophobicContact CB-CZ 3.72Å
49E74.8Confident75.1Confident134 Ų13481.8 Ų81.863%0.62642%0.419SS*.G310 helixtrans-60.5-22.2-177.1-58.9-178.3164.600112.6N47N47-E49 PolarHBondContact O-N 2.85Å; N47-E49 WeakPolarHBondContact OD1-CB 3.3Å; N47-E49 PolarHBondContact OD1-N 3.17Å
50R73.1Confident75Confident169 Ų16981.3 Ų81.364%0.63843%0.429SS*.G310 helixtrans-93.8-13.6-175.8-59.2-172.8168.8-166.9-3.2114.8L44 N47 A48L44-R50 HydrophobicContact CD1-CB 3.57Å; N47-R50 HydrophobicContact CB-CG 4.39Å; N47-R50 PolarHBondContact O-N 3.29Å; N47-R50 VanDerWaalsContact O-N 3.12Å; A48-R50 PolarHBondContact O-N 2.78Å
51W71.1Confident74.9Confident45 Ų4582.8 Ų82.817%0.1744%0.436CS..THydrogen-bonded Turntrans-135.7-19-174.866.6-90.9000114.6N37 L40 A41 L44 A48 F58 F59N37-W51 HydrophobicContact CB-CE3 4.01Å; N37-W51 HydrophobicContact CB-CZ3 4.03Å; L40-W51 HydrophobicContact CD2-CB 3.67Å; L40-W51 HydrophobicContact CG-CB 3.94Å; A41-W51 HydrophobicContact CB-CD2 3.83Å; A41-W51 VanDerWaalsContact CB-CE2 3.46Å; A41-W51 HydrophobicContact CB-CE3 4.43Å; A41-W51 HydrophobicContact CB-CG 4.16Å; A41-W51 HydrophobicContact CB-CH2 4.34Å; A41-W51 HydrophobicContact CB-CZ2 3.76Å; L44-W51 HydrophobicContact CD1-CB 4.37Å; A48-W51 PolarHBondContact O-N 3.21Å; W51-F58 AromaticContact CH2-CE2 3.49Å; W51-F58 HydrophobicContact CH2-CE2 3.49Å; W51-F58 VanDerWaalsContact CH2-CE2 3.49Å; W51-F58 AromaticContact CH2-CZ 3.32Å; W51-F58 HydrophobicContact CH2-CZ 3.32Å; W51-F58 HydrophobicContact CZ2-CE2 4.31Å; W51-F58 AromaticContact CZ2-CZ 3.8Å; W51-F58 HydrophobicContact CZ2-CZ 3.8Å; W51-F58 AromaticContact CZ3-CE2 3.9Å; W51-F58 HydrophobicContact CZ3-CE2 3.9Å; W51-F58 AromaticContact CZ3-CZ 3.71Å; W51-F58 HydrophobicContact CZ3-CZ 3.71Å; W51-F59 HydrophobicContact CH2-CD1 4.19Å; W51-F59 HydrophobicContact CH2-CE1 4.37Å; W51-F59 HydrophobicContact CH2-CG 4.47Å; W51-F59 AromaticContact CZ2-CD1 3.89Å; W51-F59 HydrophobicContact CZ2-CD1 3.89Å; W51-F59 HydrophobicContact CZ2-CD2 4.34Å; W51-F59 AromaticContact CZ2-CE1 3.65Å; W51-F59 HydrophobicContact CZ2-CE1 3.65Å; W51-F59 HydrophobicContact CZ2-CE2 4.12Å; W51-F59 HydrophobicContact CZ2-CG 4.24Å; W51-F59 AromaticContact CZ2-CZ 3.77Å; W51-F59 HydrophobicContact CZ2-CZ 3.77Å
52S69Low74.9Confident17 Ų1792.6 Ų92.612%0.11947%0.473CS..SBendtrans-109.9148.8168.272.40000107.6A48 N54 L55 F58A48-S52 PolarHBondContact O-N 2.97Å; A48-S52 VanDerWaalsContact O-O 3.14Å; A48-S52 PolarHBondContact O-OG 2.03Å; S52-N54 PolarHBondContact O-N 3.03Å; S52-L55 PolarHBondContact OG-O 2.86Å; S52-F58 VanDerWaalsContact CB-CE1 3.49Å; S52-F58 VanDerWaalsContact CB-CZ 3.41Å; S52-F58 WeakPolarHBondContact OG-CE1 3.19Å
53S74Confident74.5Confident120 Ų12097.1 Ų97.184%0.83948%0.483SS*.SBendtrans-65.262.9-179-53.20000112.7L55S53-L55 PolarHBondContact O-N 3.28Å
54N70Confident74.5Confident119 Ų11997 Ų9764%0.63648%0.482SS*.SBendtrans5919.4-175.8-148.215.2000115.9S52S52-N54 PolarHBondContact O-N 3.03Å
55L73.5Confident74.1Confident78 Ų78104.3 Ų104.341%0.40852%0.515SS..  trans-80.5136.1171-64.1173.6000108.1A48 S52 S53 Y57 F58A48-L55 VanDerWaalsContact CB-O 3.23Å; A48-L55 WeakPolarHBondContact CB-O 3.24Å; S52-L55 PolarHBondContact OG-O 2.86Å; S53-L55 PolarHBondContact O-N 3.28Å; L55-Y57 HydrophobicContact CD2-CE1 4.44Å; L55-F58 HydrophobicContact CB-CD1 3.44Å; L55-F58 VanDerWaalsContact CB-CD1 3.44Å; L55-F58 HydrophobicContact CB-CE1 3.64Å; L55-F58 HydrophobicContact CB-CG 4.48Å; L55-F58 VanDerWaalsContact O-CE1 3.25Å; L55-F58 WeakPolarHBondContact O-CE1 3.23Å
56S72Confident73.5Confident80 Ų80106.1 Ų106.156%0.55952%0.519SS*.  trans-124.2-16.818058.40000113.8
57Y75Confident73.2Confident192 Ų192107.3 Ų107.375%0.75353%0.534SS*.SBendtrans-104.514.5-169.954.9-94.3000114.5L55L55-Y57 HydrophobicContact CD2-CE1 4.44Å
58F78.7Confident73Confident94 Ų94109.6 Ų109.641%0.41256%0.561SS.*SBendtrans-101.7-2.9-173.971-83.1000114.1W51 S52 L55W51-F58 AromaticContact CH2-CE2 3.49Å; W51-F58 HydrophobicContact CH2-CE2 3.49Å; W51-F58 VanDerWaalsContact CH2-CE2 3.49Å; W51-F58 AromaticContact CH2-CZ 3.32Å; W51-F58 HydrophobicContact CH2-CZ 3.32Å; W51-F58 HydrophobicContact CZ2-CE2 4.31Å; W51-F58 AromaticContact CZ2-CZ 3.8Å; W51-F58 HydrophobicContact CZ2-CZ 3.8Å; W51-F58 AromaticContact CZ3-CE2 3.9Å; W51-F58 HydrophobicContact CZ3-CE2 3.9Å; W51-F58 AromaticContact CZ3-CZ 3.71Å; W51-F58 HydrophobicContact CZ3-CZ 3.71Å; S52-F58 VanDerWaalsContact CB-CE1 3.49Å; S52-F58 VanDerWaalsContact CB-CZ 3.41Å; S52-F58 WeakPolarHBondContact OG-CE1 3.19Å; L55-F58 HydrophobicContact CB-CD1 3.44Å; L55-F58 VanDerWaalsContact CB-CD1 3.44Å; L55-F58 HydrophobicContact CB-CE1 3.64Å; L55-F58 HydrophobicContact CB-CG 4.48Å; L55-F58 VanDerWaalsContact O-CE1 3.25Å; L55-F58 WeakPolarHBondContact O-CE1 3.23Å
59F73.9Confident73.1Confident66 Ų66114.8 Ų114.829%0.28959%0.593SS.*  trans-144.7157.5179.971.4-79000111.8Y46 A48 W51 I61Y46-F59 HydrophobicContact CD1-CE2 4.42Å; A48-F59 HydrophobicContact CB-CE1 3.48Å; A48-F59 VanDerWaalsContact CB-CE1 3.48Å; A48-F59 HydrophobicContact CB-CZ 3.72Å; W51-F59 HydrophobicContact CH2-CD1 4.19Å; W51-F59 HydrophobicContact CH2-CE1 4.37Å; W51-F59 HydrophobicContact CH2-CG 4.47Å; W51-F59 AromaticContact CZ2-CD1 3.89Å; W51-F59 HydrophobicContact CZ2-CD1 3.89Å; W51-F59 HydrophobicContact CZ2-CD2 4.34Å; W51-F59 AromaticContact CZ2-CE1 3.65Å; W51-F59 HydrophobicContact CZ2-CE1 3.65Å; W51-F59 HydrophobicContact CZ2-CE2 4.12Å; W51-F59 HydrophobicContact CZ2-CG 4.24Å; W51-F59 AromaticContact CZ2-CZ 3.77Å; W51-F59 HydrophobicContact CZ2-CZ 3.77Å; F59-I61 HydrophobicContact CD2-CG1 4.05Å; F59-I61 HydrophobicContact CE2-CD1 4.08Å; F59-I61 HydrophobicContact CE2-CG1 3.9Å
60A75.4Confident72.7Confident89 Ų89115.7 Ų115.774%0.73660%0.595SS**  trans-131.7134.4169.600000108.8
61I72.5Confident72.3Confident71 Ų71114.1 Ų114.136%0.36460%0.599SS.*  trans-94.2116.1175.9-49.7149.9000107.7Y46 F59 R63Y46-I61 HydrophobicContact CD1-CD1 3.77Å; Y46-I61 HydrophobicContact CD1-CG1 3.61Å; Y46-I61 HydrophobicContact CD2-CD1 3.75Å; Y46-I61 HydrophobicContact CD2-CG1 4.22Å; Y46-I61 HydrophobicContact CD2-CG2 4.4Å; Y46-I61 HydrophobicContact CE1-CG1 4.11Å; Y46-I61 HydrophobicContact CE2-CG2 4.22Å; Y46-I61 HydrophobicContact CG-CD1 3.29Å; Y46-I61 HydrophobicContact CG-CG1 3.69Å; F59-I61 HydrophobicContact CD2-CG1 4.05Å; F59-I61 HydrophobicContact CE2-CD1 4.08Å; F59-I61 HydrophobicContact CE2-CG1 3.9Å; I61-R63 HydrophobicContact CG2-CG 3.99Å
62R76.9Confident72Confident208 Ų208117 Ų11779%0.78562%0.623SS**  trans-106.8104.6168.4-58.1-173107.5-173.25.2108H64R62-H64 PolarHBondContact O-N 2.89Å
63R71.6Confident71.6Confident185 Ų185125.3 Ų125.370%0.69865%0.653SS**  trans-81.6111.1172.4-59.7-174.9-158.5-99.50.7107.7I61I61-R63 HydrophobicContact CG2-CG 3.99Å
64H75.7Confident70.8Confident156 Ų156124.8 Ų124.872%0.72265%0.645SS**PPolyproline II helixtrans-81.8154.2163.8-67.4-87.2000108.5R62 S66R62-H64 PolarHBondContact O-N 2.89Å; H64-S66 PolarHBondContact O-N 3.07Å
65Q72.7Confident69.9Low199 Ų199123.7 Ų123.793%0.9365%0.646SS**PPolyproline II helixtrans-53.8120170.7-78.7-129.1-21.100108.6
66S67.1Low69.3Low93 Ų93125.4 Ų125.465%0.6566%0.662SS**PPolyproline II helixtrans-71.9136.8170.368.90000107.8H64 A68H64-S66 PolarHBondContact O-N 3.07Å; S66-A68 PolarHBondContact O-N 3.43Å
67S71Confident68.7Low68 Ų68128 Ų12848%0.47667%0.674SS.*PPolyproline II helixtrans-55.6138.4165.8-179.80000109T69 F70S67-T69 WeakPolarHBondContact CB-OG1 3.33Å; S67-T69 PolarHBondContact O-N 3.18Å; S67-T69 PolarHBondContact OG-N 2.77Å; S67-T69 PolarHBondContact OG-OG1 2.94Å; S67-F70 WeakPolarHBondContact O-CB 3.42Å; S67-F70 PolarHBondContact O-N 3.25Å
68A71.7Confident67.9Low110 Ų110123.1 Ų123.191%0.90967%0.668SS**THydrogen-bonded Turntrans-59.3-12.3171.300000112.7S66S66-A68 PolarHBondContact O-N 3.43Å
69T75Confident66.4Low118 Ų118126.1 Ų126.172%0.72469%0.688SS**THydrogen-bonded Turntrans-84.3-3.1175.564.30000114.2S67 N71S67-T69 WeakPolarHBondContact CB-OG1 3.33Å; S67-T69 PolarHBondContact O-N 3.18Å; S67-T69 PolarHBondContact OG-N 2.77Å; S67-T69 PolarHBondContact OG-OG1 2.94Å; T69-N71 PolarHBondContact O-N 2.84Å
70F66Low65.2Low152 Ų152129.4 Ų129.467%0.66771%0.708SS**  trans-86.4108.3-178.1-168.3-95.5000111.2S67S67-F70 WeakPolarHBondContact O-CB 3.42Å; S67-F70 PolarHBondContact O-N 3.25Å
71N64.9Low63.8Low136 Ų136128.7 Ų128.773%0.72770%0.697SS**PPolyproline II helixtrans-74.3137173.1-72.1-16.2000110.3T69 Y73T69-N71 PolarHBondContact O-N 2.84Å; N71-Y73 PolarHBondContact O-N 3.38Å
72P65.7Low62.5Low105 Ų105131 Ų13168%0.68272%0.716SS**PPolyproline II helixtrans-55.3138.9172.3-21.331.3000111.1T74P72-T74 PolarHBondContact O-N 2.83Å
73Y61.2Low60.8Low192 Ų192127 Ų12775%0.75371%0.71SS**PPolyproline II helixtrans-72.9122171.3-169.4-90.6000109.2N71N71-Y73 PolarHBondContact O-N 3.38Å
74T57Low59.5Low109 Ų109130.8 Ų130.867%0.66974%0.736SS**  trans-110.4128.9175.556.10000109.5P72 P76P72-T74 PolarHBondContact O-N 2.83Å; T74-P76 WeakPolarHBondContact O-CD 3.36Å
75C50.3Low58.7Low96 Ų96129.5 Ų129.565%0.64974%0.736SS**  trans-72.1113.8165.6-65.30000107.8V77C75-V77 PolarHBondContact O-N 3.46Å
76P60Low58Low115 Ų115125.8 Ų125.875%0.74773%0.726SS**  trans-64.7121.7171.626.5-30.7000107.8T74 S78T74-P76 WeakPolarHBondContact O-CD 3.36Å; P76-S78 PolarHBondContact O-N 3.12Å
77V60.1Low57.5Low134 Ų134127.7 Ų127.781%0.81273%0.73SS**  trans-68101.2165.7-130.90000105.2C75 N79C75-V77 PolarHBondContact O-N 3.46Å; V77-N79 PolarHBondContact O-N 3.19Å
78S58.4Low56.7Low89 Ų89131.2 Ų131.262%0.62275%0.745SS**  trans-60.6120.815839.30000105.2P76 I80P76-S78 PolarHBondContact O-N 3.12Å; S78-I80 PolarHBondContact O-N 3.17Å
79N48Very low55.8Low158 Ų158132.5 Ų132.585%0.84574%0.735SS**  trans-57.499160.7-70.8-42000105V77 S81V77-N79 PolarHBondContact O-N 3.19Å; N79-S81 PolarHBondContact O-N 2.8Å
80I49Very low54.5Low135 Ų135133.5 Ų133.569%0.69274%0.736SS**  trans-62.395164.4-59.1170.4000103S78 P82S78-I80 PolarHBondContact O-N 3.17Å; I80-P82 WeakPolarHBondContact O-CD 3.21Å
81S44.3Very low53.6Low73 Ų73132.1 Ų132.151%0.5174%0.741SS.*  trans-65115.1172.1-169.90000105.7N79 N83N79-S81 PolarHBondContact O-N 2.8Å; S81-N83 VanDerWaalsContact C-N 3.27Å; S81-N83 PolarHBondContact O-N 2.91Å; S81-N83 PolarHBondContact OG-ND2 2.95Å
82P46.4Very low52.8Low119 Ų119131.8 Ų131.877%0.77374%0.742SS**  trans-76.188.7175.930.2-26.5000106.6I80I80-P82 WeakPolarHBondContact O-CD 3.21Å
83N41.5Very low51.7Low124 Ų124134.1 Ų134.166%0.66375%0.747SS**  trans-116.9103.1175.4-75.2-25.5000109.5S81S81-N83 VanDerWaalsContact C-N 3.27Å; S81-N83 PolarHBondContact O-N 2.91Å; S81-N83 PolarHBondContact OG-ND2 2.95Å
84H44.1Very low50.8Low265 Ų265128.8 Ų128.8100%1.22775%0.746SS**  trans47.10144.9-80.6-63.7000120.1

Retrieved 84 of 84 residues in 29.7 ms (Link to these results)